OHA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C16 | doub | 1.22Å | 1.34Å | |
| O2 | C16 | sing | 1.36Å | 1.24Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.52Å | 1.53Å | |
| O1 | C7 | doub | 1.23Å | 1.23Å | |
| C8 | C7 | sing | 1.52Å | 1.53Å | |
| C7 | C6 | sing | 1.52Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.52Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C16 | O2 | 119.0° | 123.0° |
| O3 | C16 | C15 | 121.6° | 125.4° |
| O2 | C16 | C15 | 119.4° | 111.6° |
| C16 | O2 | HO2 | 109.5° | 115.3° |
| C16 | C15 | C14 | 116.4° | 113.5° |
| C16 | C15 | H151 | 107.2° | 109.3° |
| C16 | C15 | H152 | 105.6° | 107.1° |
| C15 | C14 | C13 | 109.9° | 115.5° |
| C14 | C15 | H151 | 107.2° | 110.0° |
| C14 | C15 | H152 | 105.6° | 108.9° |
| C15 | C14 | H141 | 109.3° | 108.5° |
| C15 | C14 | H142 | 109.2° | 109.4° |
| C14 | C13 | C12 | 115.1° | 116.0° |
| C13 | C14 | H141 | 109.3° | 109.0° |
| C13 | C14 | H142 | 109.3° | 108.1° |
| C14 | C13 | H131 | 107.6° | 109.2° |
| C14 | C13 | H132 | 106.3° | 108.2° |
| C13 | C12 | C11 | 112.7° | 113.4° |
| C12 | C13 | H131 | 107.6° | 108.2° |
| C12 | C13 | H132 | 106.3° | 108.9° |
| C13 | C12 | H121 | 108.4° | 108.1° |
| C13 | C12 | H122 | 107.7° | 109.3° |
| C12 | C11 | C10 | 114.4° | 113.3° |
| C11 | C12 | H121 | 108.4° | 108.8° |
| C11 | C12 | H122 | 107.7° | 110.6° |
| C12 | C11 | H111 | 107.8° | 109.0° |
| C12 | C11 | H112 | 106.7° | 110.5° |
| C11 | C10 | C9 | 113.2° | 115.5° |
| C10 | C11 | H111 | 107.9° | 108.1° |
| C10 | C11 | H112 | 106.7° | 109.4° |
| C11 | C10 | H101 | 108.2° | 108.5° |
| C11 | C10 | H102 | 107.4° | 108.7° |
| C10 | C9 | C8 | 111.4° | 113.5° |
| C9 | C10 | H101 | 108.3° | 109.0° |
| C9 | C10 | H102 | 107.4° | 108.4° |
| C10 | C9 | H91 | 108.9° | 110.1° |
| C10 | C9 | H92 | 108.4° | 108.3° |
| C9 | C8 | C7 | 116.2° | 110.5° |
| C8 | C9 | H91 | 108.8° | 110.6° |
| C8 | C9 | H92 | 108.4° | 108.7° |
| C9 | C8 | H81 | 107.3° | 110.8° |
| C9 | C8 | H82 | 105.8° | 112.2° |
| O1 | C7 | C8 | 121.1° | 120.9° |
| O1 | C7 | C6 | 117.9° | 122.8° |
| C8 | C7 | C6 | 120.9° | 116.3° |
| C7 | C8 | H81 | 107.3° | 108.4° |
| C7 | C8 | H82 | 105.7° | 107.9° |
| C7 | C6 | C5 | 114.3° | 112.5° |
| C7 | C6 | H61 | 107.9° | 107.8° |
| C7 | C6 | H62 | 106.8° | 107.7° |
| C6 | C5 | C4 | 111.6° | 113.3° |
| C5 | C6 | H61 | 107.9° | 109.7° |
| C5 | C6 | H62 | 106.8° | 110.3° |
| C6 | C5 | H51 | 108.8° | 109.8° |
| C6 | C5 | H52 | 108.3° | 109.2° |
| C5 | C4 | C3 | 113.3° | 113.2° |
| C4 | C5 | H51 | 108.7° | 109.8° |
| C4 | C5 | H52 | 108.3° | 108.3° |
| C5 | C4 | H41 | 108.2° | 109.1° |
| C5 | C4 | H42 | 107.3° | 108.2° |
| C4 | C3 | C2 | 115.7° | 113.2° |
| C3 | C4 | H41 | 108.2° | 110.1° |
| C3 | C4 | H42 | 107.3° | 109.2° |
| C4 | C3 | H31 | 107.5° | 109.1° |
| C4 | C3 | H32 | 106.0° | 110.2° |
| C1 | C2 | C3 | 112.5° | 113.6° |
| C1 | C2 | H21 | 108.5° | 109.5° |
| C1 | C2 | H22 | 107.8° | 108.6° |
| C2 | C1 | H11 | 109.5° | 110.0° |
| C2 | C1 | H12 | 109.4° | 111.5° |
| C2 | C1 | H13 | 109.5° | 111.0° |
| C2 | C3 | H31 | 107.4° | 108.1° |
| C2 | C3 | H32 | 106.0° | 109.1° |
| C3 | C2 | H21 | 108.5° | 109.8° |
| C3 | C2 | H22 | 107.8° | 108.4° |
| H151 | C15 | H152 | 115.1° | 107.8° |
| H141 | C14 | H142 | 109.8° | 105.9° |
| H131 | C13 | H132 | 114.0° | 105.9° |
| H121 | C12 | H122 | 112.0° | 106.3° |
| H111 | C11 | H112 | 113.5° | 106.2° |
| H101 | C10 | H102 | 112.4° | 106.3° |
| H91 | C9 | H92 | 110.9° | 105.3° |
| H81 | C8 | H82 | 114.9° | 106.9° |
| H61 | C6 | H62 | 113.3° | 108.7° |
| H51 | C5 | H52 | 111.1° | 106.3° |
| H41 | C4 | H42 | 112.6° | 106.9° |
| H31 | C3 | H32 | 114.5° | 106.9° |
| H21 | C2 | H22 | 111.8° | 106.7° |
| H11 | C1 | H12 | 109.5° | 107.6° |
| H11 | C1 | H13 | 109.4° | 108.0° |
| H12 | C1 | H13 | 109.5° | 108.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C16 | O2 | C15 | 178.3° | 178.2° |
| O3 | C16 | C15 | C14 | 19.5° | 3.1° |
| O3 | C16 | O2 | HO2 | 0.0° | 0.1° |
| O3 | C16 | C15 | H151 | 100.5° | 120.0° |
| O3 | C16 | C15 | H152 | 136.3° | 123.4° |
| O2 | C16 | C15 | C14 | 162.3° | 175.0° |
| O2 | C16 | C15 | H151 | 77.7° | 61.8° |
| O2 | C16 | C15 | H152 | 45.4° | 54.8° |
| C16 | C15 | C14 | H151 | 120.0° | 122.8° |
| C16 | C15 | C14 | H152 | 116.8° | 119.3° |
| C16 | C15 | C14 | C13 | 150.0° | 177.2° |
| C15 | C16 | O2 | HO2 | 178.3° | 178.3° |
| C16 | C15 | H151 | H152 | 117.1° | 116.1° |
| C16 | C15 | C14 | H141 | 30.0° | 60.1° |
| C16 | C15 | C14 | H142 | 90.2° | 55.1° |
| C15 | C14 | C13 | H141 | 120.0° | 122.4° |
| C15 | C14 | C13 | H142 | 119.8° | 122.9° |
| C15 | C14 | C13 | C12 | 156.6° | 177.5° |
| C14 | C15 | H151 | H152 | 117.2° | 118.6° |
| C15 | C14 | H141 | H142 | 119.8° | 117.3° |
| C15 | C14 | C13 | H131 | 36.6° | 59.9° |
| C15 | C14 | C13 | H132 | 86.0° | 54.9° |
| C14 | C13 | C12 | H131 | 120.0° | 123.1° |
| C14 | C13 | C12 | H132 | 117.5° | 122.3° |
| C14 | C13 | C12 | C11 | 123.5° | 179.1° |
| C13 | C14 | C15 | H151 | 90.0° | 54.5° |
| C13 | C14 | C15 | H152 | 33.2° | 63.5° |
| C13 | C14 | H141 | H142 | 119.9° | 116.2° |
| C14 | C13 | H131 | H132 | 117.7° | 116.3° |
| C14 | C13 | C12 | H121 | 116.4° | 60.1° |
| C14 | C13 | C12 | H122 | 4.9° | 55.2° |
| C13 | C12 | C11 | H121 | 120.0° | 120.4° |
| C13 | C12 | C11 | H122 | 118.6° | 123.2° |
| C13 | C12 | C11 | C10 | 96.0° | 179.6° |
| C12 | C13 | C14 | H141 | 83.4° | 60.1° |
| C12 | C13 | C14 | H142 | 36.7° | 54.7° |
| C12 | C13 | H131 | H132 | 117.7° | 116.6° |
| C13 | C12 | H121 | H122 | 118.7° | 117.3° |
| C13 | C12 | C11 | H111 | 144.0° | 60.0° |
| C13 | C12 | C11 | H112 | 21.8° | 56.3° |
| C12 | C11 | C10 | H111 | 120.0° | 120.9° |
| C12 | C11 | C10 | H112 | 117.8° | 123.9° |
| C12 | C11 | C10 | C9 | 148.6° | 179.1° |
| C11 | C12 | C13 | H131 | 3.6° | 57.7° |
| C11 | C12 | C13 | H132 | 119.0° | 56.9° |
| C11 | C12 | H121 | H122 | 118.7° | 119.1° |
| C12 | C11 | H111 | H112 | 117.9° | 119.1° |
| C12 | C11 | C10 | H101 | 28.6° | 58.2° |
| C12 | C11 | C10 | H102 | 93.0° | 57.0° |
| C11 | C10 | C9 | H101 | 120.0° | 122.4° |
| C11 | C10 | C9 | H102 | 118.4° | 122.3° |
| C11 | C10 | C9 | C8 | 150.2° | 177.6° |
| C10 | C11 | C12 | H121 | 24.0° | 60.0° |
| C10 | C11 | C12 | H122 | 145.4° | 56.4° |
| C10 | C11 | H111 | H112 | 118.0° | 117.4° |
| C11 | C10 | H101 | H102 | 118.5° | 116.8° |
| C11 | C10 | C9 | H91 | 89.8° | 57.9° |
| C11 | C10 | C9 | H92 | 31.0° | 56.7° |
| C10 | C9 | C8 | H91 | 120.0° | 124.2° |
| C10 | C9 | C8 | H92 | 119.2° | 120.6° |
| C10 | C9 | C8 | C7 | 137.9° | 175.8° |
| C9 | C10 | C11 | H111 | 91.4° | 60.0° |
| C9 | C10 | C11 | H112 | 30.9° | 55.3° |
| C9 | C10 | H101 | H102 | 118.5° | 116.7° |
| C10 | C9 | H91 | H92 | 119.2° | 116.6° |
| C10 | C9 | C8 | H81 | 17.8° | 55.6° |
| C10 | C9 | C8 | H82 | 105.2° | 63.8° |
| C9 | C8 | C7 | O1 | 79.9° | 0.0° |
| C9 | C8 | C7 | H81 | 120.0° | 121.6° |
| C9 | C8 | C7 | H82 | 116.9° | 123.0° |
| C9 | C8 | C7 | C6 | 103.0° | 178.4° |
| C8 | C9 | C10 | H101 | 30.2° | 60.0° |
| C8 | C9 | C10 | H102 | 91.4° | 55.3° |
| C8 | C9 | H91 | H92 | 119.2° | 117.2° |
| C9 | C8 | H81 | H82 | 117.3° | 122.5° |
| O1 | C7 | C8 | C6 | 177.1° | 178.4° |
| O1 | C7 | C6 | C5 | 174.5° | 0.5° |
| O1 | C7 | C8 | H81 | 40.2° | 121.6° |
| O1 | C7 | C8 | H82 | 163.2° | 123.0° |
| O1 | C7 | C6 | H61 | 65.5° | 121.6° |
| O1 | C7 | C6 | H62 | 56.6° | 121.3° |
| C8 | C7 | C6 | C5 | 2.7° | 178.9° |
| C7 | C8 | C9 | H91 | 102.1° | 60.0° |
| C7 | C8 | C9 | H92 | 18.6° | 55.2° |
| C7 | C8 | H81 | H82 | 117.2° | 116.1° |
| C8 | C7 | C6 | H61 | 117.3° | 60.0° |
| C8 | C7 | C6 | H62 | 120.6° | 57.1° |
| C7 | C6 | C5 | H61 | 120.0° | 120.0° |
| C7 | C6 | C5 | H62 | 117.9° | 120.3° |
| C7 | C6 | C5 | C4 | 173.5° | 176.9° |
| C6 | C7 | C8 | H81 | 136.9° | 60.0° |
| C6 | C7 | C8 | H82 | 13.9° | 55.4° |
| C7 | C6 | H61 | H62 | 118.0° | 116.5° |
| C7 | C6 | C5 | H51 | 53.5° | 60.0° |
| C7 | C6 | C5 | H52 | 67.4° | 56.2° |
| C6 | C5 | C4 | H51 | 120.0° | 123.2° |
| C6 | C5 | C4 | H52 | 119.1° | 121.3° |
| C6 | C5 | C4 | C3 | 154.6° | 177.0° |
| C5 | C6 | H61 | H62 | 118.0° | 120.7° |
| C6 | C5 | H51 | H52 | 119.1° | 118.0° |
| C6 | C5 | C4 | H41 | 85.4° | 60.1° |
| C6 | C5 | C4 | H42 | 36.3° | 55.9° |
| C5 | C4 | C3 | H41 | 120.0° | 122.4° |
| C5 | C4 | C3 | H42 | 118.3° | 120.5° |
| C5 | C4 | C3 | C2 | 88.4° | 177.5° |
| C4 | C5 | C6 | H61 | 66.5° | 57.0° |
| C4 | C5 | C6 | H62 | 55.6° | 62.8° |
| C4 | C5 | H51 | H52 | 119.1° | 116.8° |
| C5 | C4 | H41 | H42 | 118.4° | 116.8° |
| C5 | C4 | C3 | H31 | 151.6° | 57.1° |
| C5 | C4 | C3 | H32 | 28.8° | 60.0° |
| C4 | C3 | C2 | C1 | 106.0° | 179.0° |
| C4 | C3 | C2 | H31 | 120.0° | 121.0° |
| C4 | C3 | C2 | H32 | 117.2° | 123.1° |
| C3 | C4 | C5 | H51 | 34.6° | 59.9° |
| C3 | C4 | C5 | H52 | 86.3° | 55.7° |
| C3 | C4 | H41 | H42 | 118.4° | 118.4° |
| C4 | C3 | H31 | H32 | 117.4° | 119.1° |
| C4 | C3 | C2 | H21 | 14.0° | 56.1° |
| C4 | C3 | C2 | H22 | 135.3° | 60.2° |
| C1 | C2 | C3 | H21 | 120.0° | 122.9° |
| C1 | C2 | C3 | H22 | 118.7° | 120.8° |
| C1 | C2 | C3 | H31 | 14.0° | 60.0° |
| C1 | C2 | C3 | H32 | 136.8° | 55.9° |
| C1 | C2 | H21 | H22 | 118.7° | 117.3° |
| C2 | C1 | H11 | H12 | 120.0° | 121.7° |
| C2 | C1 | H11 | H13 | 120.0° | 121.3° |
| C2 | C1 | H12 | H13 | 120.0° | 122.6° |
| C2 | C3 | C4 | H41 | 31.6° | 60.1° |
| C2 | C3 | C4 | H42 | 153.3° | 57.0° |
| C2 | C3 | H31 | H32 | 117.4° | 117.4° |
| C3 | C2 | H21 | H22 | 118.8° | 117.3° |
| C3 | C2 | C1 | H11 | 126.5° | 175.7° |
| C3 | C2 | C1 | H12 | 6.5° | 64.9° |
| C3 | C2 | C1 | H13 | 113.5° | 56.2° |
| H151 | C15 | C14 | H141 | 150.0° | 177.2° |
| H151 | C15 | C14 | H142 | 29.8° | 67.7° |
| H152 | C15 | C14 | H141 | 86.8° | 59.2° |
| H152 | C15 | C14 | H142 | 153.0° | 174.3° |
| H141 | C14 | C13 | H131 | 156.6° | 62.5° |
| H141 | C14 | C13 | H132 | 34.0° | 177.3° |
| H142 | C14 | C13 | H131 | 83.2° | 177.2° |
| H142 | C14 | C13 | H132 | 154.2° | 68.0° |
| H131 | C13 | C12 | H121 | 123.6° | 63.0° |
| H131 | C13 | C12 | H122 | 115.1° | 178.4° |
| H132 | C13 | C12 | H121 | 1.0° | 177.7° |
| H132 | C13 | C12 | H122 | 122.4° | 67.0° |
| H121 | C12 | C11 | H111 | 96.0° | 60.4° |
| H121 | C12 | C11 | H112 | 141.8° | 176.7° |
| H122 | C12 | C11 | H111 | 25.4° | 176.8° |
| H122 | C12 | C11 | H112 | 96.8° | 66.9° |
| H111 | C11 | C10 | H101 | 148.6° | 62.7° |
| H111 | C11 | C10 | H102 | 27.0° | 177.9° |
| H112 | C11 | C10 | H101 | 89.1° | 177.9° |
| H112 | C11 | C10 | H102 | 149.2° | 66.8° |
| H101 | C10 | C9 | H91 | 150.2° | 64.5° |
| H101 | C10 | C9 | H92 | 89.0° | 179.1° |
| H102 | C10 | C9 | H91 | 28.6° | 179.8° |
| H102 | C10 | C9 | H92 | 149.4° | 65.5° |
| H91 | C9 | C8 | H81 | 137.8° | 179.8° |
| H91 | C9 | C8 | H82 | 14.8° | 60.5° |
| H92 | C9 | C8 | H81 | 101.4° | 65.0° |
| H92 | C9 | C8 | H82 | 135.5° | 175.6° |
| H61 | C6 | C5 | H51 | 173.5° | 179.9° |
| H61 | C6 | C5 | H52 | 52.6° | 63.8° |
| H62 | C6 | C5 | H51 | 64.4° | 60.4° |
| H62 | C6 | C5 | H52 | 174.7° | 176.5° |
| H51 | C5 | C4 | H41 | 154.6° | 63.1° |
| H51 | C5 | C4 | H42 | 83.7° | 179.1° |
| H52 | C5 | C4 | H41 | 33.6° | 178.6° |
| H52 | C5 | C4 | H42 | 155.4° | 65.4° |
| H41 | C4 | C3 | H31 | 88.4° | 179.5° |
| H41 | C4 | C3 | H32 | 148.8° | 62.5° |
| H42 | C4 | C3 | H31 | 33.3° | 63.4° |
| H42 | C4 | C3 | H32 | 89.5° | 179.5° |
| H31 | C3 | C2 | H21 | 134.0° | 177.1° |
| H31 | C3 | C2 | H22 | 104.7° | 60.8° |
| H32 | C3 | C2 | H21 | 103.2° | 67.0° |
| H32 | C3 | C2 | H22 | 18.1° | 176.7° |
| H21 | C2 | C1 | H11 | 6.5° | 61.1° |
| H21 | C2 | C1 | H12 | 113.5° | 58.2° |
| H21 | C2 | C1 | H13 | 126.5° | 179.4° |
| H22 | C2 | C1 | H11 | 114.7° | 55.0° |
| H22 | C2 | C1 | H12 | 125.3° | 174.4° |
| H22 | C2 | C1 | H13 | 5.2° | 64.5° |
| H11 | C1 | H12 | H13 | 120.0° | 116.6° |
